Recently,
ferromagnetism observed in monolayer two-dimensional
(2D) materials has attracted attention due to the promise of its application
in next-generation spintronics. Here, we predict a symmetry-breaking
phase in 2D FeTe2 that differs from conventional transition
metal ditellurides shows superior stability and room-temperature ferromagnetism.
Through density functional theory calculations, we find the exchange
interactions in FeTe2 consist of short-range superexchange
and long-range oscillatory exchanges mediated by itinerant electrons.
For six nearest neighbors, the exchange constants are calculated to
be 50.95, 33.41, 2.70, 11.02, 14.46, and −4.12 meV. Furthermore,
the strong relativistic effects on Te2+ induce giant out-of-plane
exchange anisotropy and open up a significantly large spin wave gap
(ΔSW) of 1.22 meV. All of this leads to robust ferromagnetism
with the T
c surpassing 423 K, which is
predicted by the renormalization group Monte Carlo method, sufficiently
higher than room temperature. Our findings shed light on the promising
future of FeTe2 in 2D magnetic research and spintronic
applications.
Atomic thin two-dimensional (2D) ferromagnetic (FM) semiconductors with high Curie temperatures (Tc) are essential for future spintronic applications. However, reliable theoretical searching for 2D FM semiconductors is still hard due...
The in-plane anisotropy of monolayer InSe plays a critical role in the application of photodetectors. In this work, through nonequilibrium Green’s function density functional theory (NEGF-DFT) and time-dependent density functional...
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